1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine

C10H19NO — CID 87398795

IUPAC1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCC2CO2)CCCCC1
InChIInChI=1S/C10H19NO/c11-10(5-2-1-3-6-10)7-4-9-8-12-9/h9H,1-8,11H2
InChIKeyPAUZRYXHPUTWDY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine

1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 87398795) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine
PubChem CID87398795
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine
SMILESNC1(CCC2CO2)CCCCC1
InChIInChI=1S/C10H19NO/c11-10(5-2-1-3-6-10)7-4-9-8-12-9/h9H,1-8,11H2
InChIKeyPAUZRYXHPUTWDY-UHFFFAOYSA-N
XLogP1.83
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine (CID 87398795) is 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine is NC1(CCC2CO2)CCCCC1.
What is the InChIKey of 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is PAUZRYXHPUTWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-10(5-2-1-3-6-10)7-4-9-8-12-9/h9H,1-8,11H2.
What are the key properties of 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine?
1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxiran-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 87398795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).